Huang, Ting-Hong; Hu, Qiao-Long; Zhao, Fang-Zheng; Wu, Tian-Cheng; Lei, Ying; Zheng, Dan; Yang, Hu published the article 《Synthesis, structural characterization, DFT studied and properties of Cu2+ complexes with the cage/ladder-like Cu4O4 cores》. Keywords: preparation tetranuclear copper bipyridine hydroxo tetrafluoroborate complex; crystal mol structure tetranuclear copper bipyridine hydroxo tetrafluoroborate complex.They researched the compound: Copper(I) tetra(acetonitrile) tetrafluoroborate( cas:15418-29-8 ).Formula: C8H12BCuF4N4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:15418-29-8) here.
Reaction of copper(I) salt with 2, 2′-bipyridine in different solvent produced two Cu4O4-based coordination complexes [Cu4(2,2′-bipyridine)4(OH)4(BF4)2](BF4)2. •2DMF (1) and [Cu4 (2,2′-bipyridine)4(OH)4(BF4)2] (BF4)2 • 2[Cu4(2,2′-bipyridine)4 (OH)4(BF4)](BF4)3 (2). Structural anal. shows that the Cu4O4 cores in 1 are interconnected by four OH- anions in the μ2-O and μ3-O coordination modes and four 2,2′-bipyridine in a bidentate mode to form a ladder-like conformation, while the Cu4O4 cores in 2 are linked by ligands OH- (ladder-like: μ2-O and μ3-O; cage-like: μ3-O) and bipyridine to yield two different conformations, and the Cu atoms also form different kinds of weak Cu … π interactions with the Cu … πcentroid distances of 3.415-3.664 Å in 1, and 3.501-3.667 Å in 2. DFT studies indicate the stability may be 1 > 2, and the HOMOs is collaboratively contributed by the Cu4O4 cores with admixed BF4- character, while the LUMOs is mainly localized on the copper d-orbital with admixed O atoms. In addition, calculation of at. charges by the Mulliken method display that the charges of the central Cu atoms are <+2, and the anion BF4 may be the key to the metal transfers charge to the coordinated atom. Compound(15418-29-8)Formula: C8H12BCuF4N4 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(Copper(I) tetra(acetonitrile) tetrafluoroborate), if you are interested, you can check out my other related articles.
Reference:
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